[1-(dimethylamino)cyclopentyl]-(2-phenylpyrazol-3-yl)methanone

C17H21N3O — CID 107330172

IUPAC[1-(dimethylamino)cyclopentyl]-(2-phenylpyrazol-3-yl)methanone
SMILESCN(C)C1(C(=O)c2ccnn2-c2ccccc2)CCCC1
InChIInChI=1S/C17H21N3O/c1-19(2)17(11-6-7-12-17)16(21)15-10-13-18-20(15)14-8-4-3-5-9-14/h3-5,8-10,13H,6-7,11-12H2,1-2H3
InChIKeyXDWNTFYHTNGJKL-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.93
Rot. Bonds4

About [1-(dimethylamino)cyclopentyl]-(2-phenylpyrazol-3-yl)methanone

[1-(dimethylamino)cyclopentyl]-(2-phenylpyrazol-3-yl)methanone (PubChem CID 107330172) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is [1-(dimethylamino)cyclopentyl]-(2-phenylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[1-(dimethylamino)cyclopentyl]-(2-phenylpyrazol-3-yl)methanone
PubChem CID107330172
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name[1-(dimethylamino)cyclopentyl]-(2-phenylpyrazol-3-yl)methanone
SMILESCN(C)C1(C(=O)c2ccnn2-c2ccccc2)CCCC1
InChIInChI=1S/C17H21N3O/c1-19(2)17(11-6-7-12-17)16(21)15-10-13-18-20(15)14-8-4-3-5-9-14/h3-5,8-10,13H,6-7,11-12H2,1-2H3
InChIKeyXDWNTFYHTNGJKL-UHFFFAOYSA-N
XLogP2.93
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methoxycyclopentyl)-(2-phenylpyrazol-3-yl)methanone
CID 107330230
(2-methyloxolan-2-yl)-(2-phenylpyrazol-3-yl)methanone
CID 107330188
(4-methylpiperidin-4-yl)-(2-phenylpyrazol-3-yl)methanone
CID 107331635
[1-(dimethylamino)cycloheptyl]-(2-ethylpyrazol-3-yl)methanone
CID 79074193
[1-(dimethylamino)cyclohexyl]-(2-propylpyrazol-3-yl)methanone
CID 79066194
[1-(dimethylamino)cycloheptyl]-(2-propylpyrazol-3-yl)methanone
CID 79074268
[4-(N-methylanilino)piperidin-1-yl]-(2-phenylpyrazol-3-yl)methanone
CID 146127136
3-amino-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-one
CID 107331628
2-phenylpyrazole-3-carbothioamide
CID 83387115
[1-(dimethylamino)cyclopentyl]-(furan-2-yl)methanone
CID 79067370
2-cyclobutyl-1-(2-phenylpyrazol-3-yl)ethanone
CID 107331768
(2,3-dimethylphenyl)-(2-phenylpyrazol-3-yl)methanone
CID 107331815

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)cyclopentyl]-(2-phenylpyrazol-3-yl)methanone?
The IUPAC name of [1-(dimethylamino)cyclopentyl]-(2-phenylpyrazol-3-yl)methanone (CID 107330172) is [1-(dimethylamino)cyclopentyl]-(2-phenylpyrazol-3-yl)methanone.
What is the SMILES notation for [1-(dimethylamino)cyclopentyl]-(2-phenylpyrazol-3-yl)methanone?
The canonical SMILES for [1-(dimethylamino)cyclopentyl]-(2-phenylpyrazol-3-yl)methanone is CN(C)C1(C(=O)c2ccnn2-c2ccccc2)CCCC1.
What is the InChIKey of [1-(dimethylamino)cyclopentyl]-(2-phenylpyrazol-3-yl)methanone?
The InChIKey is XDWNTFYHTNGJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-19(2)17(11-6-7-12-17)16(21)15-10-13-18-20(15)14-8-4-3-5-9-14/h3-5,8-10,13H,6-7,11-12H2,1-2H3.
What are the key properties of [1-(dimethylamino)cyclopentyl]-(2-phenylpyrazol-3-yl)methanone?
[1-(dimethylamino)cyclopentyl]-(2-phenylpyrazol-3-yl)methanone has a molecular weight of 283.38 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)cyclopentyl]-(2-phenylpyrazol-3-yl)methanone is sourced from PubChem (CID 107330172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).